• 제목/요약/키워드: molecular computer

검색결과 344건 처리시간 0.028초

Computer Models of Bacterial Cells To Integrate Genomic Detail with Cell Physiology

  • Shuler, Michael L.
    • 한국미생물생명공학회:학술대회논문집
    • /
    • 한국미생물생명공학회 2005년도 2005 Annual Meeting & International Symposium
    • /
    • pp.54-62
    • /
    • 2005
  • While genomics (the set of experimental and computational tools that allows the blueprints of life to be read) opens the doors to a more rational approach to the design and use of living cells to bring about desirable chemical transformations, genomics is, by itself, insufficient. We need tools that allow us to relate genomic and molecular information to cellular physiology and then to the response of a population of cells. We propose the development of hybrid computer cellular models. In such models genomics and chemical detail for a cellular subsystem (e.g. pathogenesis) is embedded in a coarse-grain cell model. Such a construct allows the quantitative and explicit linkage of genomic detail to cell physiology to the extracellular environment. To illustrate the principles involved we are constructing a model for a minimal cell. A minimal cell is a bacterial cell with the fewest number of genes necessary to sustain life as a free living microbe.

  • PDF

거대 분자의 효율적인 렌더링 기법 (Effective rendering of large molecular models)

  • 이준;박성준;김지인
    • 한국정보과학회:학술대회논문집
    • /
    • 한국정보과학회 2005년도 가을 학술발표논문집 Vol.32 No.2 (2)
    • /
    • pp.241-243
    • /
    • 2005
  • 정보생물학 분야에 있어서 분자 구조를 3차원으로 렌더링하여 보여주는 것은 매우 중요한 작업이다. 특히 분자의 표면 렌더링은 분자 구조를 분석 하는데 필요한데, 렌더링을 하는데 있어서 폴리곤이 많이 필요하게 된다. 특히 분자량이 많은 거대 분자를 3차원으로 렌더링 하기 위해서는 고가의 그래픽 전용 워크스테이션을 사용하게 된다. 본 논문에서는 저렴한 일반 PC 급 시스템에서도 거대 분자를 렌더링 할 수 있는 알고리즘을 제안 하였다. 제안하는 알고리즘에는 옥트리(Octree)를 전처리로 사용한 Hybrid Point & Polygon 렌더링 기법을 적용 하였다. 각 렌더링 과정은 최적의 성능을 내기 위하여 GPU가 작업을 처리한다.

  • PDF

GaAs/AlAs/InGaAs 에피층의 고분해능 TEM 이미지 전산모사 (Computer Simulations of HRTEM Images in GaAs/AlAs/InGaAs Epilayers)

  • 이확주;류현;이재덕;남산
    • Applied Microscopy
    • /
    • 제26권4호
    • /
    • pp.479-487
    • /
    • 1996
  • Thin epilayer structures of GaAs/AlAs/InGaAs, grown by Molecular Beam Epitaxy, were investigated by high resolution transmission electron microscopy, Image in the [110] zone axis was taken and compared with the calculated images. The supercell structure which contains GaAs, AlAs and InGaAs layers was designed and was employed in the image calculation with MacTempas computer program. Good agreement was shown between experimental image and a set of calculated images with varying defocus and sample thickness.

  • PDF

용융탄산염 연료 전지 스택의 성능 및 열전달 해석 (An Analysis on the Performance and the Heat Transfer of Molten Carbonate Fuel Cell Stack)

  • 구자용;서종철;김유
    • 설비공학논문집
    • /
    • 제6권2호
    • /
    • pp.120-129
    • /
    • 1994
  • A numerical investigation has been carried out for the electrochemical reaction, mass and heat transfer characteristics of the Molten Carbonate Fuel Cell(MCFC) stack. The effects of cooling air channel and water gas shift reaction were taken into account. The current density distribution of electrodes, the molecular fractions of reactant gasses and three dimensional temperature distribution can be calculated and shown by several lines of equivalent values. The results have been compared with the existing ones, and reasonable agreement has been obtained. To examine the influence of changing parameters, such as the composition of reactant gases, the target average current density, the utilization of reactant gases, the cooling air inlet temperature and flow rates, the computer simulation has been done. The analysis method and computer program developed in this study will be greatly helpful to design and verify the optimum operating condition of MCFC stack.

  • PDF

Growth and Dissolve of Defects in Boron Nitride Nanotube

  • Lee, Jun-Ha;Lee, Hoong-Joo
    • 반도체디스플레이기술학회지
    • /
    • 제3권3호
    • /
    • pp.23-25
    • /
    • 2004
  • The defect formation energy of boron nitride (BN) nanotubes is investigated using molecular-dynamics simulation. Although the defect with tetragon-octagon pairs (4-88-4) is favored in the flat cap of BN nanotubes, BN clusters, and the growth of BN nanotubes, the formation energy of the 4-88-4 defect is significantly higher than that of the pentagon-heptagon pairs (5-77-5) defect in BN nanotubes. The 5-77-5 defect reduces the effect of the structural distortion caused by the 4-88-4 defect, in spite of homoelemental bonds.

  • PDF

Molecular Computing with Artificial Neurons

  • Michael Conrad;Zauner, Klaus-Peter
    • 정보과학회지
    • /
    • 제18권8호
    • /
    • pp.78-89
    • /
    • 2000
  • Today's computers are built up from a minimal set of standard pattern recognition operations. Logic gates, such as NAND, are common examples. Biomolecular materials offer an alternative approach, both in terms of variety and context sensitivity. Enzymes, the basic switching elements in biological cells, are notable for their ability to discriminate specific molecules in a complex background and to do so in a manner that is sensitive to particular milieu features and indifferent to others, The enzyme, in effect, is a powerful context sensitivity pattern processor that in a rough way can be analogized to a neuron whose input-output behavior is controlled by enzymatic dynamics.

  • PDF

Ultradense 2-to-4 decoder in quantum-dot cellular automata technology based on MV32 gate

  • Abbasizadeh, Akram;Mosleh, Mohammad
    • ETRI Journal
    • /
    • 제42권6호
    • /
    • pp.912-921
    • /
    • 2020
  • Quantum-dot cellular automata (QCA) is an alternative complementary metal-oxide-semiconductor (CMOS) technology that is used to implement high-speed logical circuits at the atomic or molecular scale. In this study, an optimal 2-to-4 decoder in QCA is presented. The proposed QCA decoder is designed using a new formulation based on the MV32 gate. Notably, the MV32 gate has three inputs and two outputs, which is equivalent two 3-input majority gates, and operates based on cellular interactions. A multilayer design is suggested for the proposed decoder. Subsequently, a new and efficient 3-to-8 QCA decoder architecture is presented using the proposed 2-to-4 QCA decoder. The simulation results of the QCADesigner 2.0.3 software show that the proposed decoders perform well. Comparisons show that the proposed 2-to-4 QCA decoder is superior to the previously proposed ones in terms of cell count, occupied area, and delay.

BSGS: 생명윤리 지식분류를 통한 컨텐츠 지원용 가이드라인 시스템 - 안드로이드 스마트 플랫폼 (BSGS: Bioethics of Smart Guideline System applied knowledge categories for Android smart platform)

  • 이지희;최성자;이강수
    • 한국정보처리학회:학술대회논문집
    • /
    • 한국정보처리학회 2010년도 추계학술발표대회
    • /
    • pp.1454-1457
    • /
    • 2010
  • IT 융합의 시대를 맞아, 오늘날 모든 분야에서 컨버전스가 새로운 비즈니스 창출과 혁신의 수단으로 활용되고 있다. 생명과학분야에서도 IT를 접목한 새로운 비지니스가 창출되고 있다. 그러나, 생명의료 윤리를 실질적으로 접하는 의료인 조차 지식수준에 비해 낮은 윤리의식을 갖추었으며 지식수준을 윤리의식으로 착각하고 있다는 평가아래 의료윤리연구회와 같은 기관을 설립하여 생명의료윤리의식을 갖추자는 자성의 목소리가 의료인들의 근래의 반응이다. 본고는 생명윤리 관련 내용을 코드체계화하고 지식관리시스템으로 구축하여, 모바일 스마트를 활용한 플랫폼 설계 및 어플을 제공한다. 생명윤리와 그 관련 법규에 관한 정보를 제공함으로써 국민의 생명윤리 의식을 고취하고 적절한 문제해결 방법을 안내하기 위함을 목적으로 한다.

Prediction of subcellular localization of proteins using pairwise sequence alignment and support vector machine

  • Kim, Jong-Kyoung;Raghava, G. P. S.;Kim, Kwang-S.;Bang, Sung-Yang;Choi, Seung-Jin
    • 한국생물정보학회:학술대회논문집
    • /
    • 한국생물정보시스템생물학회 2004년도 The 3rd Annual Conference for The Korean Society for Bioinformatics Association of Asian Societies for Bioinformatics 2004 Symposium
    • /
    • pp.158-166
    • /
    • 2004
  • Predicting the destination of a protein in a cell gives valuable information for annotating the function of the protein. Recent technological breakthroughs have led us to develop more accurate methods for predicting the subcellular localization of proteins. The most important factor in determining the accuracy of these methods, is a way of extracting useful features from protein sequences. We propose a new method for extracting appropriate features only from the sequence data by computing pairwise sequence alignment scores. As a classifier, support vector machine (SVM) is used. The overall prediction accuracy evaluated by the jackknife validation technique reach 94.70% for the eukaryotic non-plant data set and 92.10% for the eukaryotic plant data set, which show the highest prediction accuracy among methods reported so far with such data sets. Our numerical experimental results confirm that our feature extraction method based on pairwise sequence alignment, is useful for this classification problem.

  • PDF

Partial AUC maximization for essential gene prediction using genetic algorithms

  • Hwang, Kyu-Baek;Ha, Beom-Yong;Ju, Sanghun;Kim, Sangsoo
    • BMB Reports
    • /
    • 제46권1호
    • /
    • pp.41-46
    • /
    • 2013
  • Identifying genes indispensable for an organism's life and their characteristics is one of the central questions in current biological research, and hence it would be helpful to develop computational approaches towards the prediction of essential genes. The performance of a predictor is usually measured by the area under the receiver operating characteristic curve (AUC). We propose a novel method by implementing genetic algorithms to maximize the partial AUC that is restricted to a specific interval of lower false positive rate (FPR), the region relevant to follow-up experimental validation. Our predictor uses various features based on sequence information, protein-protein interaction network topology, and gene expression profiles. A feature selection wrapper was developed to alleviate the over-fitting problem and to weigh each feature's relevance to prediction. We evaluated our method using the proteome of budding yeast. Our implementation of genetic algorithms maximizing the partial AUC below 0.05 or 0.10 of FPR outperformed other popular classification methods.